PubChemLite - Cer(d20:0/26:0) (C46H93NO3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C46H93NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(50)47-44(43-48)45(49)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,47,50)/t44-,45+/m0/s1

InChIKey

VPEAVPNLCFWDRE-YWPUXERESA-N

Compound name

N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]hexacosanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	708.72288	294.9
[M+Na]+	730.70482	298.0
[M-H]-	706.70832	276.6
[M+NH4]+	725.74942	291.5
[M+K]+	746.67876	303.4
[M+H-H2O]+	690.71286	291.1
[M+HCOO]-	752.71380	288.0
[M+CH3COO]-	766.72945	288.8
[M+Na-2H]-	728.69027	272.9
[M]+	707.71505	290.3
[M]-	707.71615	290.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

708.72288

294.9

[M+Na]+

730.70482

298.0

[M-H]-

706.70832

276.6

[M+NH4]+

725.74942

291.5

[M+K]+

746.67876

303.4

[M+H-H2O]+

690.71286

291.1

[M+HCOO]-

752.71380

288.0

[M+CH3COO]-

766.72945

288.8

[M+Na-2H]-

728.69027

272.9

[M]+

707.71505

290.3

[M]-

707.71615

290.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cer(d20:0/26:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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